ethanedioic acid; ethyl 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate; oxalic acid CAS Name: 4-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-1-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]piperidine-1-carboxylate; oxalic acid Traditional Name: 4-[4-(4-methoxyphenyl)sulfonylpiperazino]piperidine-1-carboxylic acid ethyl ester; oxalic acid Formula: C21H31N3O9S MolecularWeight: 501.55054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29N3O5S.C2H2O4/c1-3-27-19(23)21-10-8-16(9-11-21)20-12-14-22(15-13-20)28(24,25)18-6-4-17(26-2)5-7-18;3-1(4)2(5)6/h4-7,16H,3,8-15H2,1-2H3;(H,3,4)(H,5,6)